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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.01 | 2o5j6 | 0.230 | 4.09 | 0.044 | 0.307 | 0.44 | III | complex1.pdb.gz | 104,105,106,107,109,110,111,113,114,117,118,142,148,150,151,154 |
| 2 | 0.01 | 2ppbM | 0.409 | 5.12 | 0.060 | 0.677 | 0.55 | STD | complex2.pdb.gz | 116,122,150,152 |
| 3 | 0.01 | 1zyrM | 0.406 | 5.46 | 0.060 | 0.693 | 0.47 | STD | complex3.pdb.gz | 116,117,118,120,123 |
| 4 | 0.01 | 1ea0A | 0.423 | 5.56 | 0.011 | 0.740 | 0.52 | F3S | complex4.pdb.gz | 93,97,101 |
| 5 | 0.01 | 2j6e2 | 0.290 | 5.47 | 0.029 | 0.479 | 0.40 | III | complex5.pdb.gz | 120,121,154 |
| 6 | 0.01 | 2a6hC | 0.403 | 5.49 | 0.066 | 0.693 | 0.42 | STD | complex6.pdb.gz | 95,97,100 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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